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Compound Detail

CHEMBL79293

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CCCCCCCCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)n1

Basic Information

ChEMBL ID CHEMBL79293
Phase Preclinical
Structure Type MOL
InChI Key XKNYHAVTIFPMNE-UPVQGACJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.6
MW (Da)
5.46
ALogP
4
HBA
3
HBD
79.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H44N2O2
MW 392.63
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C (PKC)
CHEMBL2094266
IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C (PKC) IC50 = 4500.0 nM 5.35 Inhibitory concentration required against Protein kinase C (isolated from rat br... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00427-U Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine